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Charge Decomposition Analysis (CDA)

S. Dapprich, G. Frenking J. Phys. Chem., 1995, 99, 9352-9362 [online via ACS]

# 
# Modification of the CDA-code
# by Moritz von Hopffgarten 13.11.2011
# 
#
The CDA2.2-code is a modification of CDA2.1.  
CDA2.2 adjusts the older code to simultaneously 
work with GAUSSIAN03 and GAUSSIAN09.

If you work with older versions of GAUSSIAN, please 
use CDA2.1.

To compile the CDA2.2 source code use a terminal, 
go to the source folder and type:

$ make

Maybe some modification of the Makefile is necessary. 
Refer to the man page of your C/C++ compiler in this case.

#####################################################

Original reference for the CDA: 

S. Dapprich, G. Frenking J. Phys. Chem. 99 (1995) 9352-9362.

Zuletzt aktualisiert: 18.11.2011 · Reuti

 
 
 
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